Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.58 |
| ▸ | HTR2A | P28223 | 6/20 | 0.58 |
| ▸ | HTR1A | P08908 | 6/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.57 |
| ▸ | HRH1 | P35367 | 3/20 | 0.57 |
| ▸ | HTR6 | P50406 | 3/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8786884 | 0.90 | DRD2 (0.58) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| SCHEMBL8791882 | 0.89 | KCNH2 (0.47) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| SCHEMBL8787873 | 0.87 | DRD2 (0.63) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| SCHEMBL8788658 | 0.85 | DRD2 (0.60) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| SCHEMBL1544928 | 0.85 | DRD2 (0.77) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| Methyl Alcohol SCHEMBL3652126 | 0.84 | ABCB11 (0.49) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| SCHEMBL3652217 | 0.84 | HTR1A (0.49) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| Alcohol SCHEMBL8787432 | 0.84 | ABCB11 (0.47) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| Fumaric Acid SCHEMBL8787489 | 0.83 | ABCB11 (0.54) | DRD2HTR2AHTR1AADRA2AHTR2C | |
| Hydrochloric Acid SCHEMBL8788587 | 0.82 | KCNH2 (0.48) | DRD2HTR2AHTR1AHTR2CADRA1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5559126-A | ANALGESICS, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |